5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine

C14H17N3O2S2 — CID 103361947

IUPAC5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
SMILESCCCS(=O)(=O)c1c(N)nsc1N1Cc2ccccc2C1
InChIInChI=1S/C14H17N3O2S2/c1-2-7-21(18,19)12-13(15)16-20-14(12)17-8-10-5-3-4-6-11(10)9-17/h3-6H,2,7-9H2,1H3,(H2,15,16)
InChIKeyKJWMSPPIQHXDPT-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.43
Rot. Bonds4

About 5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine

5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine (PubChem CID 103361947) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
PubChem CID103361947
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
SMILESCCCS(=O)(=O)c1c(N)nsc1N1Cc2ccccc2C1
InChIInChI=1S/C14H17N3O2S2/c1-2-7-21(18,19)12-13(15)16-20-14(12)17-8-10-5-3-4-6-11(10)9-17/h3-6H,2,7-9H2,1H3,(H2,15,16)
InChIKeyKJWMSPPIQHXDPT-UHFFFAOYSA-N
XLogP2.43
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103380917
5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
CID 103359090
4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one
CID 103363215
2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103365086
4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine
CID 103382080
4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103360501
4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103365809
4-ethylsulfonyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-3-amine
CID 103359106
5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103362220
5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103362189
4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine
CID 103359563
4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103380926

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine?
The IUPAC name of 5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine (CID 103361947) is 5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine is CCCS(=O)(=O)c1c(N)nsc1N1Cc2ccccc2C1.
What is the InChIKey of 5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine?
The InChIKey is KJWMSPPIQHXDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-2-7-21(18,19)12-13(15)16-20-14(12)17-8-10-5-3-4-6-11(10)9-17/h3-6H,2,7-9H2,1H3,(H2,15,16).
What are the key properties of 5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine?
5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine has a molecular weight of 323.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine is sourced from PubChem (CID 103361947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).